Piperazine, 1-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-, (Z)-2-butenedioate (1:1)
Basic information
- CAS
51490-25-6- Standard SMILES
O=C(O)/C=C/C(=O)O.c1cc2c(cc1N1CCNCC1)CCCCC2- InChIKey
XLKRHAGVQLDHJJ-WLHGVMLRSA-N- Molecular formula
- C19H26N2O4
- Average molar mass
- 346.4 g/mol
- Monoisotopic mass
- 346.18925731
Names & identifiers
- Preferred name
- Piperazine, 1-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-, (Z)-2-butenedioate (1:1)
- IUPAC
- (E)-but-2-enedioic acid;1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)piperazine
Names & synonyms
Piperazine, 1-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-, (Z)-2-butenedioate (1:1)51490-25-6RefChem:10958952-Piperazino-6,7,8,9-tetrahydro-5H-benzocycloheptene maleate1-(6,7,8,9-Tetrahydro-5H-benzocyclohepten-2-yl)piperazine maleate
Database identifiers
- CAS
51490-25-6- PubChem CID
- 6445883
Properties
Computed structural properties
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 354
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Compound notes
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